What does that mean
Is there any paper in this case? diamagnetism is due to paired electrons but what about ferromagnetic?
03 April 2015 1,773 1 View
Yet Another Extended Hukel Molecular Orbital Pakage (YAEHMOP) 1- how to download the software? 2- how to work with the software?
02 March 2015 1,963 0 View
distortion for d0 or f0 is just because of that? is there any reason for this distortion?
02 March 2015 3,332 0 View
Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...
07 August 2024 269 3 View
Hello, Can anyone provide me with the absorption coefficient of methane gas at 7.7 um? Any reference?
06 August 2024 980 5 View
Dear all! Oxygen vacancies do raise negatively the Fermi level by increasing the negative charge in the semiconductor crystal structure. In the case of n-type semiconductors, I wonder if this...
30 July 2024 8,339 2 View
Hello! I am trying to calculate the sumatriptan molecule, but it has been counting for five days and it does not stop. It seems to me that it is too long and I am doing something wrong. Please...
25 July 2024 3,364 5 View
I know the difference between instrumental LOD and method LOD but my query is - in case of any sample whose concentration is zero or not detected by the instrumental LOD, is it possible to get...
24 July 2024 6,592 5 View
Dear Researchers, My question is associated with the "MDCI" method in Orca. Please let me clarify my question using a simple example: Suppose we are going to perform CBS extrapolation using "!...
21 July 2024 1,632 0 View
I am performing fluorescence experiments using a ligand to detect metal ions. I want to determine the Lowest Detection Limit (LOD) using the formula LOD = 3σ / K. However, I'm uncertain about...
19 July 2024 1,086 1 View
I am working on flourescence sensing of heavy metals using quantum dots.Can any of you suggest how to find the detection limit. Whether it is calculated from formula or we can get from instrument?
19 July 2024 7,411 3 View
Anomaly detection in scanned image data set
18 July 2024 3,578 3 View
I'm trying to study the effects of introducing vacancy defects in my material. If I optimize my structure and find the lattice parameter before introducing vacancy, should I again optimize my...
18 July 2024 1,794 2 View
